Quelamycin
TL;DR: Quelamycin (CAS 64719-39-7) is a chemical compound with molecular formula C27H29FeNO11+3 and molecular weight 599.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-7-[(2S,4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;iron(3+)
Also Known As: Quelamycin, Triferric adriamycin, Triferric doxorubicin, C27-H27-N-O11.2Fe(2+).Fe(3+), (7S,9S)-7-[(2S,4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; iron(3+)
| Molecular Formula | C27H29FeNO11+3 |
|---|---|
| Molecular Weight | 599.11 g/mol |
| LogP | -0.0012 |
| Topological Polar Surface Area | 206.07 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 599.109 |
| Heavy Atoms | 40 |
| Complexity | 1383.2651 |
Chemical Identifiers
| CAS Number | 64719-39-7 |
|---|---|
| SMILES | C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.[Fe+3] |
Product Overview
Quelamycin (CAS 64719-39-7), with molecular formula C27H29FeNO11+3 and molecular weight 599.11 g/mol. IUPAC: (7S,9S)-7-[(2S,4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;iron(3+).
Chemical Property Profile of Quelamycin
Property Insights of Quelamycin
The XLogP value of -0.0012 indicates that Quelamycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 206.07 Ų indicates high polarity, suggesting Quelamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quelamycin has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quelamycin?
The CAS number of Quelamycin is 64719-39-7.
What is the molecular formula of Quelamycin?
The molecular formula of Quelamycin is C27H29FeNO11+3.
What is the molecular weight of Quelamycin?
The molecular weight of Quelamycin is 599.11 g/mol.
Where can I buy Quelamycin?
You can request a quote for Quelamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quelamycin?
Yes, KEHONG BIO provides custom synthesis services for Quelamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.